Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 6 results

Search term: QBEIABZPRBJOFU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
397614

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1
C9H12FN3O3229.20832219280
315524

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)
C9H12FN3O3229.2083191900
65343

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m1/s1
C9H12FN3O3229.208310900
401225

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7-/m1/s1
C9H12FN3O3229.20835400
57267565

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1/i1T,2T/t1?,2?,5-,7+
C9H10T2FN3O3233.22452100
110558387

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7-/m0/s1
C9H12FN3O3229.20831100

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